Information card for entry 7131156

Structure parameters

• Formula: C28 H36 F12 N4 O2 P2
• Calculated formula: C28 H36 F12 N4 O2 P2
• Title of publication: Highly electron deficient diketopyrrolopyrroles.
• Authors of publication: Humphreys, Joshua; Malagreca, Ferdinando; Hume, Paul A.; Davies, E. Stephen; Argent, Stephen P.; Bradshaw, Tracey D.; Amabilino, David B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 12
• Pages of publication: 1613 - 1616
• a: 34.9289 ± 0.0007 Å
• b: 9.64811 ± 0.00019 Å
• c: 9.32463 ± 0.00017 Å
• α: 90°
• β: 96.9621 ± 0.0018°
• γ: 90°
• Cell volume: 3119.21 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No